2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine

C11H8N4 — CID 172544478

IUPAC2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine
SMILESNc1nc2ccc3cccc-3cnc-2n1
InChIInChI=1S/C11H8N4/c12-11-14-9-5-4-7-2-1-3-8(7)6-13-10(9)15-11/h1-6H,(H2,12,13,14,15)
InChIKeyWUNFZFQLPRBVOS-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.66
Rot. Bonds

About 2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine

2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine (PubChem CID 172544478) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine.

Molecular Properties

Compound Name2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine
PubChem CID172544478
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine
SMILESNc1nc2ccc3cccc-3cnc-2n1
InChIInChI=1S/C11H8N4/c12-11-14-9-5-4-7-2-1-3-8(7)6-13-10(9)15-11/h1-6H,(H2,12,13,14,15)
InChIKeyWUNFZFQLPRBVOS-UHFFFAOYSA-N
XLogP1.66
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
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CID 129035516
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CID 134380728
4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 164817160

Frequently Asked Questions

What is the IUPAC name of 2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine?
The IUPAC name of 2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine (CID 172544478) is 2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine.
What is the SMILES notation for 2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine?
The canonical SMILES for 2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine is Nc1nc2ccc3cccc-3cnc-2n1.
What is the InChIKey of 2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine?
The InChIKey is WUNFZFQLPRBVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c12-11-14-9-5-4-7-2-1-3-8(7)6-13-10(9)15-11/h1-6H,(H2,12,13,14,15).
What are the key properties of 2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine?
2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine has a molecular weight of 196.21 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12,14-triazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaen-13-amine is sourced from PubChem (CID 172544478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).